(Z)-N-butan-2-yloxybutan-2-imine

C8H17NO — CID 12696242

IUPAC(Z)-N-butan-2-yloxybutan-2-imine
SMILESCC/C(C)=N\OC(C)CC
InChIInChI=1S/C8H17NO/c1-5-7(3)9-10-8(4)6-2/h8H,5-6H2,1-4H3/b9-7-
InChIKeyVKNJMOCBGHEDLH-CLFYSBASSA-N
MW143.23 g/mol
LogP2.59
Rot. Bonds4

About (Z)-N-butan-2-yloxybutan-2-imine

(Z)-N-butan-2-yloxybutan-2-imine (PubChem CID 12696242) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (Z)-N-butan-2-yloxybutan-2-imine.

Molecular Properties

Compound Name(Z)-N-butan-2-yloxybutan-2-imine
PubChem CID12696242
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(Z)-N-butan-2-yloxybutan-2-imine
SMILESCC/C(C)=N\OC(C)CC
InChIInChI=1S/C8H17NO/c1-5-7(3)9-10-8(4)6-2/h8H,5-6H2,1-4H3/b9-7-
InChIKeyVKNJMOCBGHEDLH-CLFYSBASSA-N
XLogP2.59
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Acetone, O-isopropyloxime
CID 12696236
(Z)-1-fluoro-N-propan-2-yloxybutan-2-imine
CID 88070533
2-Pentanone, O-propyloxime
CID 9601808
butan-2-one O-ethyloxime
CID 22087388
cyclohexanone O-(sec-butyl) oxime
CID 91826114
2-N,3-N-diethoxybutane-2,3-diimine
CID 20677078
N-propan-2-yloxycyclododecanimine
CID 17887260
(Z)-N-butan-2-yloxy-3-methylbutan-2-imine
CID 22087382
N-butan-2-yloxypropan-2-imine
CID 22087389
N-propan-2-yloxycyclohexanimine
CID 23466974
N-butan-2-yloxybutan-2-imine
CID 53639231
N-butoxybutan-2-imine
CID 53666341

Frequently Asked Questions

What is the IUPAC name of (Z)-N-butan-2-yloxybutan-2-imine?
The IUPAC name of (Z)-N-butan-2-yloxybutan-2-imine (CID 12696242) is (Z)-N-butan-2-yloxybutan-2-imine.
What is the SMILES notation for (Z)-N-butan-2-yloxybutan-2-imine?
The canonical SMILES for (Z)-N-butan-2-yloxybutan-2-imine is CC/C(C)=N\OC(C)CC.
What is the InChIKey of (Z)-N-butan-2-yloxybutan-2-imine?
The InChIKey is VKNJMOCBGHEDLH-CLFYSBASSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-7(3)9-10-8(4)6-2/h8H,5-6H2,1-4H3/b9-7-.
What are the key properties of (Z)-N-butan-2-yloxybutan-2-imine?
(Z)-N-butan-2-yloxybutan-2-imine has a molecular weight of 143.23 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butan-2-yloxybutan-2-imine is sourced from PubChem (CID 12696242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).